Headless API for Coot

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coot_headless_api (chapi)

Python bindings for Coot's libcootapi — a headless, scriptable interface to Coot's macromolecular model-building and refinement engine.

Overview

Coot is the standard tool for macromolecular model building in X-ray crystallography and cryo-EM. This package exposes Coot's core API as a Python extension module, allowing you to run model building, refinement, validation and ligand fitting programmatically — without a display or GUI.

The central class is molecules_container_t, which manages a collection of molecular models and electron density maps and provides methods to operate on them.

Installation

pip install coot-headless-api

Platform support

Platform Supported
macOS (arm64) ✅ macOS 15+
Linux (x86_64) ✅ glibc 2.34+ (Ubuntu 22.04+)
Linux (aarch64) ✅ glibc 2.34+ (Ubuntu 22.04+)
Windows ❌

Getting started

To get started, take a look at the coot-headless-api documentation.

Related packages

  • Moorhen — browser-based Coot, uses the same underlying API via WebAssembly

License

GPLv3 — see Coot's licence for details.

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This version

1.3.1rc3 pre-release

1.3.1rc2 pre-release

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